4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile

C67H40N6 — CID 163573400

IUPAC4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C67H40N6/c68-41-42-39-61(71-57-33-17-11-27-51(57)63-59(71)37-35-49-47-25-9-13-29-53(47)69(65(49)63)43-19-3-1-4-20-43)67(73-55-31-15-7-23-45(55)46-24-8-16-32-56(46)73)62(40-42)72-58-34-18-12-28-52(58)64-60(72)38-36-50-48-26-10-14-30-54(48)70(66(50)64)44-21-5-2-6-22-44/h1-40H
InChIKeyGBINIVHIKDJGHX-UHFFFAOYSA-N
MW929.10 g/mol
LogP17.04
Rot. Bonds5

About 4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile

4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile (PubChem CID 163573400) has the molecular formula C67H40N6 and a molecular weight of 929.10 g/mol. Its IUPAC name is 4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
PubChem CID163573400
Molecular FormulaC67H40N6
Molecular Weight929.10 g/mol
Exact Mass928.33
IUPAC Name4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C67H40N6/c68-41-42-39-61(71-57-33-17-11-27-51(57)63-59(71)37-35-49-47-25-9-13-29-53(47)69(65(49)63)43-19-3-1-4-20-43)67(73-55-31-15-7-23-45(55)46-24-8-16-32-56(46)73)62(40-42)72-58-34-18-12-28-52(58)64-60(72)38-36-50-48-26-10-14-30-54(48)70(66(50)64)44-21-5-2-6-22-44/h1-40H
InChIKeyGBINIVHIKDJGHX-UHFFFAOYSA-N
XLogP17.04
TPSA48.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.10
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 167107914
3-(2-carbazol-9-ylphenyl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 129291095
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
5-phenyl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-10-carbonitrile
CID 134597896
4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 118543647
2,4,5-tri(carbazol-9-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 166856107
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027
4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]sulfanylbenzonitrile
CID 171844554
4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170050981
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
6-(4-cyanophenyl)-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene-10-carbonitrile
CID 146180291

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The IUPAC name of 4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile (CID 163573400) is 4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile.
What is the SMILES notation for 4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The canonical SMILES for 4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile is N#Cc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.
What is the InChIKey of 4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The InChIKey is GBINIVHIKDJGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H40N6/c68-41-42-39-61(71-57-33-17-11-27-51(57)63-59(71)37-35-49-47-25-9-13-29-53(47)69(65(49)63)43-19-3-1-4-20-43)67(73-55-31-15-7-23-45(55)46-24-8-16-32-56(46)73)62(40-42)72-58-34-18-12-28-52(58)64-60(72)38-36-50-48-26-10-14-30-54(48)70(66(50)64)44-21-5-2-6-22-44/h1-40H.
What are the key properties of 4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile has a molecular weight of 929.10 g/mol, XLogP of 17.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile is sourced from PubChem (CID 163573400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).